N-(4-methylsulfanylphenyl)-7-nitro-2H-1,4-benzoxazin-3-amine

Systemtic Name: N-(4-methylsulfanylphenyl)-7-nitro-2H-1,4-benzoxazin-3-amine Openeye Name: N-(4-methylsulfanylphenyl)-7-nitro-2H-1,4-benzoxazin-3-amine CAS Name: N-[4-(methylthio)phenyl]-7-nitro-2H-1,4-benzoxazin-3-amine IUPAC Name: N-(4-methylsulfanylphenyl)-7-nitro-2H-1,4-benzoxazin-3-amine Traditional Name: [4-(methylthio)phenyl]-(7-nitro-2H-1,4-benzoxazin-3-yl)amine Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2

InChI

InChI=1S/C15H13N3O3S/c1-22-12-5-2-10(3-6-12)16-15-9-21-14-8-11(18(19)20)4-7-13(14)17-15/h2-8H,9H2,1H3,(H,16,17)